SCHEMBL6223530

SCHEMBL6223530

Cc1ccc(NC(=O)c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.70
LMNA P02545 4/20 0.70
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
MAPK1 P28482 3/20 0.70
ATM Q13315 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 8/20 0.69
KMT2A Q03164 8/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
GAA P10253 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTT P42858 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31524206 1.00 MAPT (0.70) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL1663888 0.87 GAA (0.60) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL31650343 0.86 MAPT (0.78) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL10005082 0.86 MAPT (0.74) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL29502906 0.86 MAPT (0.74) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL5175961 0.85 RAB9A (0.70) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL31524108 0.84 MAPT (0.79) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL4200628 0.84 LMNA (0.62) MAPTLMNARAB9AMAPK1MEN1
SCHEMBL29878066 0.84 MAPT (0.74) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL31524100 0.84 MAPT (0.60) MAPTLMNARAB9ANPC1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP disclosed
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed
EP-1165566-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASE ASTRAZENECA AB (SE) 2003-08-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B MAPT 4431/4885LMNA 1762/4885RAB9A 2051/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.